4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

C10H15N3O3 — CID 136958399

IUPAC4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCc1nc(N(C)CCCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-7-11-8(6-9(14)12-7)13(2)5-3-4-10(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyUEJZODYHIQKEGY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.38
Rot. Bonds5

About 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136958399) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136958399
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCc1nc(N(C)CCCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-7-11-8(6-9(14)12-7)13(2)5-3-4-10(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,11,12,14)
InChIKeyUEJZODYHIQKEGY-UHFFFAOYSA-N
XLogP0.38
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136958399) is 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is Cc1nc(N(C)CCCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is UEJZODYHIQKEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-11-8(6-9(14)12-7)13(2)5-3-4-10(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136958399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).